(5R)-5-[[3-[[3-(4-chlorobenzoyl)-2-methyl-6-(trifluoromethylamino)indol-1-yl]methyl]phenyl]methyl]-5-methyl-1,3-oxazolidine-2,4-dione

C29H23ClF3N3O4 — CID 143176762

About (5R)-5-[[3-[[3-(4-chlorobenzoyl)-2-methyl-6-(trifluoromethylamino)indol-1-yl]methyl]phenyl]methyl]-5-methyl-1,3-oxazolidine-2,4-dione

(5R)-5-[[3-[[3-(4-chlorobenzoyl)-2-methyl-6-(trifluoromethylamino)indol-1-yl]methyl]phenyl]methyl]-5-methyl-1,3-oxazolidine-2,4-dione (PubChem CID 143176762) has the molecular formula C29H23ClF3N3O4 and a molecular weight of 569.97 g/mol. Its IUPAC name is (5R)-5-[[3-[[3-(4-chlorobenzoyl)-2-methyl-6-(trifluoromethylamino)indol-1-yl]methyl]phenyl]methyl]-5-methyl-1,3-oxazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-[[3-[[3-(4-chlorobenzoyl)-2-methyl-6-(trifluoromethylamino)indol-1-yl]methyl]phenyl]methyl]-5-methyl-1,3-oxazolidine-2,4-dione
• PubChem CID: 143176762
• Molecular Formula: C29H23ClF3N3O4
• Molecular Weight: 569.97 g/mol
• Exact Mass: 569.13
• IUPAC Name: (5R)-5-[[3-[[3-(4-chlorobenzoyl)-2-methyl-6-(trifluoromethylamino)indol-1-yl]methyl]phenyl]methyl]-5-methyl-1,3-oxazolidine-2,4-dione
• SMILES: Cc1c(C(=O)c2ccc(Cl)cc2)c2ccc(NC(F)(F)F)cc2n1Cc1cccc(C[C@@]2(C)OC(=O)NC2=O)c1
• InChI: InChI=1S/C29H23ClF3N3O4/c1-16-24(25(37)19-6-8-20(30)9-7-19)22-11-10-21(35-29(31,32)33)13-23(22)36(16)15-18-5-3-4-17(12-18)14-28(2)26(38)34-27(39)40-28/h3-13,35H,14-15H2,1-2H3,(H,34,38,39)/t28-/m1/s1
• InChIKey: IFGZJHUJWQAIGN-MUUNZHRXSA-N
• XLogP: 6.38
• TPSA: 89.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	569.97
LogP ≤ 5	6.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[3-[[3-(4-chlorobenzoyl)-2-methyl-6-(trifluoromethylamino)indol-1-yl]methyl]phenyl]methyl]-5-methyl-1,3-oxazolidine-2,4-dione?

The IUPAC name of (5R)-5-[[3-[[3-(4-chlorobenzoyl)-2-methyl-6-(trifluoromethylamino)indol-1-yl]methyl]phenyl]methyl]-5-methyl-1,3-oxazolidine-2,4-dione (CID 143176762) is (5R)-5-[[3-[[3-(4-chlorobenzoyl)-2-methyl-6-(trifluoromethylamino)indol-1-yl]methyl]phenyl]methyl]-5-methyl-1,3-oxazolidine-2,4-dione.

What is the SMILES notation for (5R)-5-[[3-[[3-(4-chlorobenzoyl)-2-methyl-6-(trifluoromethylamino)indol-1-yl]methyl]phenyl]methyl]-5-methyl-1,3-oxazolidine-2,4-dione?

The canonical SMILES for (5R)-5-[[3-[[3-(4-chlorobenzoyl)-2-methyl-6-(trifluoromethylamino)indol-1-yl]methyl]phenyl]methyl]-5-methyl-1,3-oxazolidine-2,4-dione is Cc1c(C(=O)c2ccc(Cl)cc2)c2ccc(NC(F)(F)F)cc2n1Cc1cccc(C[C@@]2(C)OC(=O)NC2=O)c1.

What is the InChIKey of (5R)-5-[[3-[[3-(4-chlorobenzoyl)-2-methyl-6-(trifluoromethylamino)indol-1-yl]methyl]phenyl]methyl]-5-methyl-1,3-oxazolidine-2,4-dione?

The InChIKey is IFGZJHUJWQAIGN-MUUNZHRXSA-N. The full InChI is InChI=1S/C29H23ClF3N3O4/c1-16-24(25(37)19-6-8-20(30)9-7-19)22-11-10-21(35-29(31,32)33)13-23(22)36(16)15-18-5-3-4-17(12-18)14-28(2)26(38)34-27(39)40-28/h3-13,35H,14-15H2,1-2H3,(H,34,38,39)/t28-/m1/s1.

What are the key properties of (5R)-5-[[3-[[3-(4-chlorobenzoyl)-2-methyl-6-(trifluoromethylamino)indol-1-yl]methyl]phenyl]methyl]-5-methyl-1,3-oxazolidine-2,4-dione?

(5R)-5-[[3-[[3-(4-chlorobenzoyl)-2-methyl-6-(trifluoromethylamino)indol-1-yl]methyl]phenyl]methyl]-5-methyl-1,3-oxazolidine-2,4-dione has a molecular weight of 569.97 g/mol, XLogP of 6.38, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[[3-[[3-(4-chlorobenzoyl)-2-methyl-6-(trifluoromethylamino)indol-1-yl]methyl]phenyl]methyl]-5-methyl-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 143176762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).